Remco W. A. Havenith

According to our database, Remco W. A. Havenith authored at least 5 papers between 1998 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

DszA Catalyzes C-S Bond Cleavage through N⁵-Hydroperoxyl Formation.

Pedro Ferreira, Rui P. P. Neves, Filipa P. Miranda, Ana V. Cunha, Remco W. A. Havenith, Maria João Ramos, Pedro Alexandrino Fernandes

J. Chem. Inf. Model., 2024

2021

Electronic couplings for singlet fission: Orbital choice and extrapolation to the complete basis set limit.

Tom Speelman, Ana V. Cunha, R. K. Kathir, Remco W. A. Havenith

J. Comput. Chem., 2021

2020

Pre-exascale accelerated application development: The ORNL Summit experience.

Lixiang Luo, Tjerk P. Straatsma, Luis Enrique Aguilar-Suárez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji, Kalyana C. Gottiparthi, Coen de Graaf, James Austin Harris, Remco W. A. Havenith, Hans Jørgen Aagard Jensen, Wayne Joubert, R. K. Kathir, Jeff Larkin, Ying Wai Li, Dmitry I. Lyakh, O. E. Bronson Messer, Matthew R. Norman, Joseph C. Oefelein, Ramanan Sankaran, Andreas F. Tillack, Ashleigh L. Barnes, Lucas Visscher, Jack C. Wells, Meilani Wibowo

IBM J. Res. Dev., 2020

2018

Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions.

Guillaume Acke, Sofie Van Damme, Remco W. A. Havenith, Patrick Bultinck

J. Comput. Chem., 2018

1998

Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.

Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe

J. Comput. Aided Mol. Des., 1998